Researchers
Name | Contact | |
---|---|---|
![]() | Jochen Rohrer Ph. D. | rohrer@mm.tu-... +49 6151 16-21893 L6|01 218 |
![]() | Amit Sehrawat M.Sc. | sehrawat@mm.tu-... +49 6151 16-21891 L6I01 212 |
FLAIR
Project B02 explores to what extent the surface Fermi levels of perovskites and related structures can be tailored by targeted incorporation of defects, solutes, and dopants, in order to enhance the reactivity for various reactions. This exploration is achieved by means of high-throughput density-functional-theory (DFT) calculations, evolutionary structure search algorithms and thermodynamic and kinetic modelling. The project employs BaTiO3 and BaInO2.5 as model systems and directly couples to experimental efforts of catalytic related projects.
Name | Contact | |
---|---|---|
![]() | Jochen Rohrer Ph. D. | rohrer@mm.tu-... +49 6151 16-21893 L6|01 218 |
![]() | Amit Sehrawat M.Sc. | sehrawat@mm.tu-... +49 6151 16-21891 L6I01 212 |